Paper Title:
Study on Electronic Structure and Optical Property of Silicon Doped with Transition Metal by First Principles
  Abstract

The First-principles based on plane-wave pseudo-potentials methods was applied to investigate the lattice parameter, electronic structure and optical property of pure Si doped with transition metal. The calculation result show that the lattice parameter decrease for Si doped with Cr and therefore the more stable structure, Si doped with Sc, Ti, V have opposite trend. Hybrid and electron transfer display intensely for Si doped with Cr from that with Sc, Ti, V. the absorption peak is located at the region of 2.42eV-2.80eV and the absorption coefficient increase intensely for doped Cr system.

  Info
Periodical
Advanced Materials Research (Volumes 217-218)
Edited by
Zhou Mark
Pages
930-935
DOI
10.4028/www.scientific.net/AMR.217-218.930
Citation
J. Yu, J. C. Chen, Y. Pan, R. Chen, "Study on Electronic Structure and Optical Property of Silicon Doped with Transition Metal by First Principles", Advanced Materials Research, Vols. 217-218, pp. 930-935, 2011
Online since
March 2011
Export
Price
$32.00
Share

In order to see related information, you need to Login.

In order to see related information, you need to Login.

Authors: Jian Hua Chen, Mao Sheng Yao, Xiao Lin Wang, Juan Juan Feng
Abstract:This paper has systematically investigated the effects of 13 metal ion dopants on the photoreactivity and UV adsorption of TiO2...
2722
Authors: Gaurang Patel, M.B. Sureshkumar, Purvi Patel
Chapter 11: Materials Behavior
Abstract:The transmittance, absorbance, and reflectance of PMMA/TiO2 composites, in different weight percentage of TiO2, prepared by a solution cast...
3249
Authors: Hai Lang Ju, Zong Liang Mao
Chapter 2: Optical Materials and Devices
Abstract:LiNbO3 is an important crystal which has piezoelectric, ferroelectric and electro-optical functions. It has a wide range of applications....
87
Authors: Qiang Wang, Ling Na Sun, Chang Wen Hu, Chuan Bao Cao
Chapter 1: Material Engineering and its Application Technology
Abstract:With the continuous development of Electronic Warfare Technology (ECM) and new requirements of military modernization, stealthy technology...
73
Authors: Feng Miao, Ying Huang
Chapter 09: Materials Science
Abstract:Considering the crystal field parameter B, C and average covalent factor N, the energy levels of Li2GeO3: Cr3+ crystal are calculated by...
906